ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol

C15H32N2O — CID 177319493

IUPACethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol
SMILESCC.CC1CCN(CC2(O)CCN(C)CC2)CC1
InChIInChI=1S/C13H26N2O.C2H6/c1-12-3-7-15(8-4-12)11-13(16)5-9-14(2)10-6-13;1-2/h12,16H,3-11H2,1-2H3;1-2H3
InChIKeyCWWBVJKARNYDEZ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.20
Rot. Bonds2

About ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol

ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol (PubChem CID 177319493) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Nameethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol
PubChem CID177319493
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Nameethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol
SMILESCC.CC1CCN(CC2(O)CCN(C)CC2)CC1
InChIInChI=1S/C13H26N2O.C2H6/c1-12-3-7-15(8-4-12)11-13(16)5-9-14(2)10-6-13;1-2/h12,16H,3-11H2,1-2H3;1-2H3
InChIKeyCWWBVJKARNYDEZ-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
4-methyl-1-[[4-(3-methylbutyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 111462447
1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane
CID 144941400
3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
CID 84731876
[1-[(4-methylpiperidin-1-yl)methyl]cyclopropyl]methanol
CID 82111584
4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol
CID 127681814
4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol
CID 84734865
4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 106498493
1-[(4-fluoropiperidin-1-yl)methyl]cyclopentan-1-ol
CID 126846312
1-[(1-hydroxycyclopentyl)methyl]piperidin-4-ol
CID 65213146
1-[[4-(dimethylamino)piperidin-1-yl]methyl]cyclobutan-1-ol
CID 126856786
1-[(1-fluorocyclopropyl)methyl]-4-methylazepane
CID 130667715

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol?
The IUPAC name of ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol (CID 177319493) is ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol is CC.CC1CCN(CC2(O)CCN(C)CC2)CC1.
What is the InChIKey of ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol?
The InChIKey is CWWBVJKARNYDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C2H6/c1-12-3-7-15(8-4-12)11-13(16)5-9-14(2)10-6-13;1-2/h12,16H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol?
ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol has a molecular weight of 256.43 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 177319493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).